SCHEMBL3730699

SCHEMBL3730699

Cc1cccc(-c2cc(CCSc3nnc(-c4ccn(C)c(=O)c4)n3C)no2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.48
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.45
RXFP1 Q9HBX9 1/20 0.44
DRD2 P14416 5/20 0.43
DRD3 P35462 4/20 0.43
KCNH2 Q12809 3/20 0.43
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 2/20 0.40
HSD17B13 Q7Z5P4 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3722568 0.84 LMNA (0.49) LMNAALDH1A1RXFP1DRD2DRD3
SCHEMBL3723647 0.83 GRM5 (0.47) GRM5LMNAALDH1A1RXFP1DRD2
SCHEMBL3109950 0.80 GRM5 (0.57) GRM5LMNAALDH1A1RXFP1DRD2
SCHEMBL3109955 0.80 GRM5 (0.57) GRM5LMNAALDH1A1RXFP1DRD2
SCHEMBL2919979 0.79 GRM5 (0.47) GRM5LMNAALDH1A1RXFP1DRD2
SCHEMBL3724363 0.75 DRD2 (0.43) GRM5LMNAALDH1A1RXFP1DRD2
SCHEMBL23465973 0.74 NPC1 (0.62) LMNAALDH1A1DRD2DRD3KCNH2
SCHEMBL17712940 0.73 DRD2 (0.53) LMNAALDH1A1DRD2DRD3KCNH2
SCHEMBL4089356 0.72 GRM5 (0.56) GRM5LMNAALDH1A1KMT2AMAPT
SCHEMBL3109098 0.71 GRM5 (0.59) GRM5LMNAALDH1A1RXFP1KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010123451-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2010-10-28 WO claimed